SCHEMBL8152995

SCHEMBL8152995

Cc1cc(C)cc(-c2cc3cc(C(C)(C)CO)ccc3n2CC(C)O)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 9/20 0.69
CNR1 P21554 5/20 0.46
CNR2 P34972 5/20 0.46
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR1I2 O75469 2/20 0.35
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8143705 0.81 CACNA1B (1.00) CACNA1BCNR1CNR2NR1I2
SCHEMBL8150545 0.81 CACNA1B (0.76) CACNA1BCNR1CNR2NR1I2
SCHEMBL8153141 0.78 CACNA1B (0.77) CACNA1BCNR1CNR2KDM4EALDH1A1
SCHEMBL8161884 0.78 CACNA1B (1.00) CACNA1BNR1I2
SCHEMBL8148540 0.73 CACNA1B (0.72) CACNA1BKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11686661 0.72 CACNA1B (0.53) CACNA1BKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11688017 0.71 CACNA1B (0.51) CACNA1BKDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL8156545 0.70 CACNA1B (0.71) CACNA1BCNR1CNR2KDM4EALDH1A1
SCHEMBL8148440 0.69 CACNA1B (0.68) CACNA1BHSD17B10SMN1; SMN2NR1I2LMNA
SCHEMBL8156333 0.68 NR1I2 (0.75) CACNA1BNR1I2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 US disclosed
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 US disclosed
WO-2008133867-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2008-11-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, CACNA1S, TRPV2 CACNA1B 13/4885CNR1 173/4885CNR2 66/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.